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86604-73-1

86604-73-1 | 2H-Benzimidazole-2-thione, 1,3-dihydro-5-(trifluoromethyl)-

CAS No: 86604-73-1 Catalog No: AG004L26 MDL No:MFCD01566857

Product Description

Catalog Number:
AG004L26
Chemical Name:
2H-Benzimidazole-2-thione, 1,3-dihydro-5-(trifluoromethyl)-
CAS Number:
86604-73-1
Molecular Formula:
C8H5F3N2S
Molecular Weight:
218.1989
MDL Number:
MFCD01566857
IUPAC Name:
5-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione
InChI:
InChI=1S/C8H5F3N2S/c9-8(10,11)4-1-2-5-6(3-4)13-7(14)12-5/h1-3H,(H2,12,13,14)
InChI Key:
HHZOBJBWXJSCSN-UHFFFAOYSA-N
SMILES:
S=c1[nH]c2c([nH]1)cc(cc2)C(F)(F)F

Properties

Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.013g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
218.197g/mol
Monoisotopic Mass:
218.013g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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